hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride

C22H28ClN3O6S2 — CID 3244458

About hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride

hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride (PubChem CID 3244458) has the molecular formula C22H28ClN3O6S2 and a molecular weight of 530.07 g/mol. Its IUPAC name is hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride.

Molecular Properties

• Compound Name: hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride
• PubChem CID: 3244458
• Molecular Formula: C22H28ClN3O6S2
• Molecular Weight: 530.07 g/mol
• Exact Mass: 529.11
• IUPAC Name: hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride
• SMILES: CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)OC)C1.[Cl-].[H+]
• InChI: InChI=1S/C22H27N3O6S2.ClH/c1-3-24-9-8-17-18(14-24)32-21(19(17)22(27)30-2)23-20(26)15-4-6-16(7-5-15)33(28,29)25-10-12-31-13-11-25;/h4-7H,3,8-14H2,1-2H3,(H,23,26);1H
• InChIKey: ZYOHYOPCNDPFDH-UHFFFAOYSA-N
• XLogP: -0.70
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.07
LogP ≤ 5	-0.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride?

The IUPAC name of hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride (CID 3244458) is hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride.

What is the SMILES notation for hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride?

The canonical SMILES for hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride is CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)OC)C1.[Cl-].[H+].

What is the InChIKey of hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride?

The InChIKey is ZYOHYOPCNDPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2.ClH/c1-3-24-9-8-17-18(14-24)32-21(19(17)22(27)30-2)23-20(26)15-4-6-16(7-5-15)33(28,29)25-10-12-31-13-11-25;/h4-7H,3,8-14H2,1-2H3,(H,23,26);1H.

What are the key properties of hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride?

hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride has a molecular weight of 530.07 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride is sourced from PubChem (CID 3244458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).